LAMMPS-a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

AP Thompson, HM Aktulga, R Berger… - Computer Physics …, 2022 - Elsevier
Since the classical molecular dynamics simulator LAMMPS was released as an open source
code in 2004, it has become a widely-used tool for particle-based modeling of materials at …

Applications of BIOVIA materials studio, LAMMPS, and GROMACS in various fields of science and engineering

S Sharma, P Kumar, R Chandra - Molecular dynamics simulation of …, 2019 - Elsevier
To give the readers an insight into the areas of application of BIOVIA Materials Studio, Large-
scale Atomic/Molecular Massively Parallel Simulator (LAMMPS), and Groningen Machine for …

[HTML][HTML] Trimer-like microrobots with multimodal locomotion and reconfigurable capabilities

S Yu, T Li, F Ji, S Zhao, K Liu, Z Zhang, W Zhang… - Materials Today …, 2022 - Elsevier
Despite the growing interest in the motion mechanisms and application potential of
individual active colloids/particles in micro/nanorobotics, their aggregation for higher …

Multiscale simulation of fluids: coupling molecular and continuum

ER Smith, PE Theodorakis - Physical Chemistry Chemical Physics, 2024 - pubs.rsc.org
Computer simulation is an important tool for scientific progress, especially when lab
experiments are either extremely costly and difficult or lack the required resolution. However …

Magttice: A lattice model for hard-magnetic soft materials

H Ye, Y Li, T Zhang - Soft Matter, 2021 - pubs.rsc.org
Magnetic actuation has emerged as a powerful and versatile mechanism for diverse
applications, ranging from soft robotics, biomedical devices to functional metamaterials. This …

Multimode microdimer robot for crossing tissue morphological barrier

H Wang, C Liu, X Yang, F Ji, W Song, G Zhang, L Wang… - Iscience, 2023 - cell.com
Swimming microrobot energized by magnetic fields exhibits remotely propulsion and
modulation in complex biological experiment with high precision. However, achieving high …

Formation of ionomer microparticles via polyelectrolyte complexation

X Duan, AC Shi, L An - Macromolecules, 2021 - ACS Publications
Developing strategies for assembling ionic polymers into nanoaggregates with desired
properties confers effective routes for the fabrications of functional materials. In dilute …

Computational modeling of magnetic particle margination within blood flow through LAMMPS

H Ye, Z Shen, Y Li - Computational Mechanics, 2018 - Springer
We develop a multiscale and multiphysics computational method to investigate the transport
of magnetic particles as drug carriers in blood flow under influence of hydrodynamic …

Self-propelled janus microdimer swimmers under a rotating magnetic field

S Yu, N Ma, H Yu, H Sun, X Chang, Z Wu, J Deng… - Nanomaterials, 2019 - mdpi.com
Recent strides in micro-and nanofabrication technology have enabled researchers to design
and develop new micro-and nanorobots for biomedicine and environmental monitoring. Due …

From GROMACS to LAMMPS: GRO2LAM: A converter for molecular dynamics software

H Chávez Thielemann, A Cardellini, M Fasano… - Journal of molecular …, 2019 - Springer
Atomistic simulations have progressively attracted attention in the study of physical-chemical
properties of innovative nanomaterials. GROMACS and LAMMPS are currently the most …